COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL545890
Chemical Name: (2E,9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-2-[1-({2-[1-(2-methylpropyl)-1H-benzimidazol-2-yl]ethyl}amino)ethylidene]dibenzo[b,d]furan-1,3(2H,9bH)-dione
Smiles: CC(Cn1c(CCN/C(=C/2\C(=O)C=C3[C@@](C2=O)(C)c2c(O)c(C)c(c(c2O3)C(=O)C)O)/C)nc2c1cccc2)C

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Molecular Weight: 543.62
Empirical Formula: C31H33N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.279
Rotatable bonds: 8
H-donors: 3
H-acceptors: 6
PSA: 130
Number of rings: 5

     

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